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21H,23H-Porphine-2,18-dipropanoic acid, 7,13-diacetyl-3,8,12,17-tetramethyl-, dimethyl ester
SpectraBase Compound ID CSovJAB1UuO
InChI InChI=1S/C36H38N4O6/c1-17-23(9-11-33(43)45-7)29-16-30-24(10-12-34(44)46-8)18(2)26(38-30)15-32-36(22(6)42)20(4)28(40-32)13-27-19(3)35(21(5)41)31(39-27)14-25(17)37-29/h13-16,37,40H,9-12H2,1-8H3/b25-14-,26-15-,27-13-,28-13-,29-16-,30-16-,31-14-,32-15-
InChIKey LNYDDXQQMUQFJQ-HYIFYYPQSA-N
Mol Weight 622.7 g/mol
Molecular Formula C36H38N4O6
Exact Mass 622.279135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pPHhYezkt8
Name 21H,23H-Porphine-2,18-dipropanoic acid, 7,13-diacetyl-3,8,12,17-tetramethyl-, dimethyl ester
CAS Registry Number 75162-27-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38N4O6
InChI InChI=1S/C36H38N4O6/c1-17-23(9-11-33(43)45-7)29-16-30-24(10-12-34(44)46-8)18(2)26(38-30)15-32-36(22(6)42)20(4)28(40-32)13-27-19(3)35(21(5)41)31(39-27)14-25(17)37-29/h13-16,37,40H,9-12H2,1-8H3/b25-14-,26-15-,27-13-,28-13-,29-16-,30-16-,31-14-,32-15-
InChIKey LNYDDXQQMUQFJQ-HYIFYYPQSA-N
Molecular Weight 622.722 g/mol
SMILES [nH]1c2c(c(c1cc1nc(cc3[nH]c(cc4nc(c2)c(c4C(=O)C)C)c(c3CCC(=O)OC)C)c(c1C)CCC(=O)OC)C(=O)C)C
SPLASH splash10-00di-0000009000-22316c78b8fc86f5a8e4
Source of Spectrum KC-1987-275-3
Synonyms Diacetyldeuteroporphyrin-XIII dimethyl ester methyl 3-[9,15-diacetyl-20-(3-methoxy-3-oxopropyl)-5,10,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),2,4,6(24),7,9,11,13(22),14,16,18-undecaen-4-yl]propanoate
Wiley ID 1411671